Have you completed the optimize.job? Use
W2web---->optimize--->Plot (ene vs volume) to see the plot Alternatively, use Grep ?e:ENE case___0.0.scf for getting energy for each percentage change in volume and use any plotter program _____ From: wien-boun...@zeus.theochem.tuwien.ac.at [mailto:wien-bounces at zeus.theochem.tuwien.ac.at] On Behalf Of Jose Alfredo Camargo Martinez Sent: Friday, May 06, 2011 4:01 AM To: Wien2K Subject: [Wien] Problem with "Volumen Optimization " Hi To calculate "Volume Optimization", I follow the procedure set out in page 28 of the user guide, but I get no graphics. I use Wien2k_11. What is correct procedure? Thanks Jos? A. Camargo -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20110506/8704a9f8/attachment.htm>